CID 2901931

428844-38-6

Structural Information

Molecular Formula
C30H27FN2O4
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C(=O)NC5=CC(=CC=C5)F
InChI
InChI=1S/C30H27FN2O4/c1-17-27(30(36)33-22-10-6-9-21(31)16-22)28(19-11-12-24(34)26(15-19)37-2)29-23(32-17)13-20(14-25(29)35)18-7-4-3-5-8-18/h3-12,15-16,20,28,32,34H,13-14H2,1-2H3,(H,33,36)
InChIKey
XLVGVSVMSMGJRS-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1955 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.20278 223.3
[M+Na]+ 521.18472 228.3
[M-H]- 497.18822 231.0
[M+NH4]+ 516.22932 227.2
[M+K]+ 537.15866 220.8
[M+H-H2O]+ 481.19276 209.8
[M+HCOO]- 543.19370 235.0
[M+CH3COO]- 557.20935 228.6
[M+Na-2H]- 519.17017 220.2
[M]+ 498.19495 218.6
[M]- 498.19605 218.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.